| CAS Number | 851341-55-4 |
| Catalog Number | AG01C4CM(AGN-PC-0OJO2Y) |
| Chemical Name | 3-Hydroxy-2-(trifluoromethoxy)benzoic acid |
| IUPAC Name | 3-hydroxy-2-(trifluoromethoxy)benzoic acid |
| InChI | InChI=1S/C8H5F3O4/c9-8(10,11)15-6-4(7(13)14)2-1-3-5(6)12/h1-3,12H,(H,13,14) |
| InChI Key | LMKDQGZIQJKBAB-UHFFFAOYSA-N |
| MDL Number | MFCD18397461 |
| Molecular Formula | C8H5F3O4 |
| Molecular Weight | 222.1181 |
| SMILES | OC(C1=C(OC(F)(F)F)C(O)=CC=C1)=O |
| Synonyms | 3-hydroxy-2-(trifluoromethoxy)benzoic acid,
851341-55-4,
ZINC96171646,
AKOS024263336,
2-(Trifluoromethoxy)-3-hydroxybenzoic acid,
Z2379805215,
|
| Complexity | 241 |
| Compound Is Canonicalized | Yes |
| Covalently-Bonded Unit Count | 1 |
| Defined Atom Stereocenter Count | 0 |
| Defined Bond Stereocenter Count | 0 |
| Exact Mass | 222.013993g/mol |
| Formal Charge | 0 |
| Heavy Atom Count | 15 |
| Hydrogen Bond Acceptor Count | 7 |
| Hydrogen Bond Donor Count | 2 |
| Isotope Atom Count | 0 |
| Molecular Weight | 222.12g/mol |
| Monoisotopic Mass | 222.013993g/mol |
| Rotatable Bond Count | 2 |
| Topological Polar Surface Area | 66.8Ų |
| Undefined Atom Stereocenter Count | 0 |
| Undefined Bond Stereocenter Count | 0 |
| XLogP3 | 2.2 |
GHS Hazard and Precautionary Statements
Certificate of Analysis
Lot Number